N-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine

C16H26FNS — CID 66070783

IUPACN-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine
SMILESCCCC(C)CC(CSc1ccc(F)cc1)NCC
InChIInChI=1S/C16H26FNS/c1-4-6-13(3)11-15(18-5-2)12-19-16-9-7-14(17)8-10-16/h7-10,13,15,18H,4-6,11-12H2,1-3H3
InChIKeyQBPWFQOLVKRDLX-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.72
Rot. Bonds9

About N-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine

N-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine (PubChem CID 66070783) has the molecular formula C16H26FNS and a molecular weight of 283.46 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine
PubChem CID66070783
Molecular FormulaC16H26FNS
Molecular Weight283.46 g/mol
Exact Mass283.18
IUPAC NameN-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine
SMILESCCCC(C)CC(CSc1ccc(F)cc1)NCC
InChIInChI=1S/C16H26FNS/c1-4-6-13(3)11-15(18-5-2)12-19-16-9-7-14(17)8-10-16/h7-10,13,15,18H,4-6,11-12H2,1-3H3
InChIKeyQBPWFQOLVKRDLX-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine
CID 66073273
1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66057294
1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 66066895
1-(4-fluorophenyl)sulfanyl-N-propylheptan-2-amine
CID 66066503
N-ethyl-1-(4-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049659
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
1-(4-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66064735
1-(4-fluorophenyl)sulfanyl-N-methylnonan-2-amine
CID 66071202
N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 106849127
N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066786
1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine
CID 66144962
1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine
CID 66054722

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine (CID 66070783) is N-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine is CCCC(C)CC(CSc1ccc(F)cc1)NCC.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine?
The InChIKey is QBPWFQOLVKRDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNS/c1-4-6-13(3)11-15(18-5-2)12-19-16-9-7-14(17)8-10-16/h7-10,13,15,18H,4-6,11-12H2,1-3H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine?
N-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine has a molecular weight of 283.46 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine is sourced from PubChem (CID 66070783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).